| Paketname | gromacs-openmpi |
| Beschreibung | Molecular dynamics sim, binaries for OpenMPI parallelization |
| Archiv/Repository | Offizielles Debian Archiv squeeze (main) |
| Version | 4.0.7-3 |
| Sektion | science |
| Priorität | extra |
| Installierte Größe | 6688 Byte |
| Hängt ab von | libc6 (>= 2.7), libfftw3-3, libopenmpi1.3, openmpi-bin (>= 1.2.3) |
| Empfohlene Pakete | gromacs |
| Paketbetreuer | Debichem Team |
| Quelle | gromacs |
| Paketgröße | 2033876 Byte |
| Prüfsumme MD5 | 330689a9be893c909094ccb0499041ef |
| Prüfsumme SHA1 | 0fb4f67eef1af2f0e0dd60a4bc3326cba728eb7b |
| Prüfsumme SHA256 | 35d79325aa82eb501cbb9633d2018eea166a5a36427884c723657c6bd4d17c68 |
| Link zum Herunterladen | gromacs-openmpi_4.0.7-3_i386.deb |
| Ausführliche Beschreibung | GROMACS is a versatile package to perform molecular dynamics, i.e. simulate
the Newtonian equations of motion for systems with hundreds to millions of
particles.
.
It is primarily designed for biochemical molecules like proteins and lipids
that have a lot of complicated bonded interactions, but since GROMACS is
extremely fast at calculating the nonbonded interactions (that usually
dominate simulations) many groups are also using it for research on non-
biological systems, e.g. polymers.
.
This package contains only the core simulation engine with parallel
support using the OpenMPI interface. It is suitable for nodes of a
processing cluster, or for multiprocessor machines.
|